[Wien] Error in elastic properties calculations
Qasim Mahmood
qasimmahmoodg at gmail.com
Tue Oct 14 20:28:07 CEST 2014
After completion of SCF when do inilization in terminal for magnetic
material, what command we should do below like -up or etc. when I give the
command -up and select the spinpolarization, command not found appeared as
shown below and after running error in lapw1 occur. for magnetic material
what command i have to select. please guide me i shall be very thankful to
the wien2k users.
CREATE A NEW eos.inst FILE with PROPER ATOMS
Eventually specify switches for instgen_lapw (or press ENTER):
-up (default) -dn -nm (non-magnetic) -ask
-----> do you want to perform a spinpolarized calculation ? (n/y)
y
> dstart -up -c (22:13:36) DSTART ENDS
1.792u 0.020s 0:01.88 96.2% 0+0k 0+1272io 0pf+0w
y: Command not found.
> dstart -dn -c (22:13:38) DSTART ENDS
1.792u 0.028s 0:01.83 98.9% 0+0k 0+1272io 0pf+0w
y: Command not found.
after executig error like stop lapw1 appeared
*Best Regards*
*Mr.Qasim Mahmood*
*Ph.D Schollar, PU,Lahore,Pakistan*
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